| SpectraBase Compound ID | E2EtDkq1dzt |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21?,22-,27+,28-,29-,30+/m1/s1 |
| InChIKey | UMYJVVZWBKIXQQ-CLYAZYHMSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cxe17mfwlJw |
|---|---|
| Name | 3-Oxoolean-18-en-28-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21?,22-,27+,28-,29-,30+/m1/s1 |
| InChIKey | UMYJVVZWBKIXQQ-CLYAZYHMSA-N |
| Molecular Weight | 454.695 g/mol |
| SMILES | OC([C@]12CCC(C=C1[C@]1(CC[C@@]3([C@]4(CCC(C(C4CC[C@]3([C@@]1(CC2)C)C)(C)C)=O)C)[H])[H])(C)C)=O |
| SPLASH | splash10-0006-0970000000-cc0ec639c1b856ff621d |
| Source of Spectrum | QA-52-837-5 |
| Synonyms | (4aS,6aR,6bR,12aR,12bR,14aS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a-octadecahydropicene-4a(2H)-carboxylic acid |
| Wiley ID | 1796150 |